HOC

(2S)-2-HYDROXYOCTANOIC ACID

Created:	2005-07-19
Last modified:	2011-06-04

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1 entries where HOC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	0

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Chemical Component Summary
Name	(2S)-2-HYDROXYOCTANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-hydroxyoctanoic acid
Formula	C₈ H₁₆ O₃
Molecular Weight	160.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(O)CCCCCC
SMILES	CACTVS	3.341	CCCCCC[CH](O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCC(C(=O)O)O
Canonical SMILES	CACTVS	3.341	CCCCCC[C@H](O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCC[C@@H](C(=O)O)O
InChI	InChI	1.03	InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKey	InChI	1.03	JKRDADVRIYVCCY-ZETCQYMHSA-N

Drug Info: DrugBank

DrugBank ID	DB07907
Name	(2S)-2-HYDROXYOCTANOIC ACID
Groups	experimental
Synonyms	(2S)-2-HYDROXYOCTANOIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hydroxyacid oxidase 1	MLPRLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSRWKLY...	unknown
(S)-mandelate dehydrogenase	MSQNLFNVEDYRKLRQKRLPKMVYDYLEGGAEDEYGVKHNRDVFQQWRFK...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682